4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride

C13H19BrClN3O2 — CID 119269095

IUPAC4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CCCN.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-9-7-10(14)4-5-11(9)17-13(19)8-16-12(18)3-2-6-15;/h4-5,7H,2-3,6,8,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyAXZKQBYBPIIQAA-UHFFFAOYSA-N
MW364.67 g/mol
LogP1.97
Rot. Bonds6

About 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride

4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride (PubChem CID 119269095) has the molecular formula C13H19BrClN3O2 and a molecular weight of 364.67 g/mol. Its IUPAC name is 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
PubChem CID119269095
Molecular FormulaC13H19BrClN3O2
Molecular Weight364.67 g/mol
Exact Mass363.03
IUPAC Name4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
SMILESCc1cc(Br)ccc1NC(=O)CNC(=O)CCCN.Cl
InChIInChI=1S/C13H18BrN3O2.ClH/c1-9-7-10(14)4-5-11(9)17-13(19)8-16-12(18)3-2-6-15;/h4-5,7H,2-3,6,8,15H2,1H3,(H,16,18)(H,17,19);1H
InChIKeyAXZKQBYBPIIQAA-UHFFFAOYSA-N
XLogP1.97
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.67
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
CID 26071027
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
3-(benzenesulfonyl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 18159015
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319
4-amino-N-(5-bromo-2-fluorophenyl)butanamide;hydrochloride
CID 119281028
2-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methoxypropanamide
CID 120983378
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-bromophenyl)sulfanylpropanamide
CID 55704272
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2,5-dimethylphenoxy)propanamide
CID 27781487
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 27781440
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride (CID 119269095) is 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride is Cc1cc(Br)ccc1NC(=O)CNC(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride?
The InChIKey is AXZKQBYBPIIQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2.ClH/c1-9-7-10(14)4-5-11(9)17-13(19)8-16-12(18)3-2-6-15;/h4-5,7H,2-3,6,8,15H2,1H3,(H,16,18)(H,17,19);1H.
What are the key properties of 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride?
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride has a molecular weight of 364.67 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride is sourced from PubChem (CID 119269095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).